C067-0099 Screening compound: ethyl 1-{2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetyl}-3-piperidinecarboxylate

C067-0099 Screening compound: ethyl 1-{2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetyl}-3-piperidinecarboxylate
C067-0099 Screening compound: ethyl 1-{2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetyl}-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C067-0099
ethyl 1-{2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetyl}-3-piperidinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C067-0099

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

ethyl 1-{2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetyl}-3-piperidinecarboxylate

IUPAC name

n/a

SMILES

CCOC(C(CCC1)CN1C(CN(C(C)=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C20H24N2O4/c1-3-26-20(25)16-8-6-10-21(12-16)18(23)13-22-14(2)11-15-7-4-5-9-17(15)19(22)24/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3/t16-/m0/s1

InChI Key

JEQDAZVGNDIKTQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14716353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.027

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.69

Polar Surface Area

52.235

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with C067-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C067-0099?
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What is the minimum amount of C067-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C067-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C067-0099
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C067-0099 available by request